2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one

C8H7ClN4OS — CID 62923892

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2nnsc2Cl)n1
InChIInChI=1S/C8H7ClN4OS/c1-5-2-3-7(14)13(11-5)4-6-8(9)15-12-10-6/h2-3H,4H2,1H3
InChIKeyCFXQADXKWSEHRY-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.10
Rot. Bonds2

About 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one

2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one (PubChem CID 62923892) has the molecular formula C8H7ClN4OS and a molecular weight of 242.69 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one
PubChem CID62923892
Molecular FormulaC8H7ClN4OS
Molecular Weight242.69 g/mol
Exact Mass242.00
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2nnsc2Cl)n1
InChIInChI=1S/C8H7ClN4OS/c1-5-2-3-7(14)13(11-5)4-6-8(9)15-12-10-6/h2-3H,4H2,1H3
InChIKeyCFXQADXKWSEHRY-UHFFFAOYSA-N
XLogP1.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one (CID 62923892) is 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2nnsc2Cl)n1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one?
The InChIKey is CFXQADXKWSEHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS/c1-5-2-3-7(14)13(11-5)4-6-8(9)15-12-10-6/h2-3H,4H2,1H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one has a molecular weight of 242.69 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62923892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).